1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one

C21H27N3O3 — CID 108646441

IUPAC1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C21H27N3O3/c1-13(2)11-17(25)18-19(15-12-22-16-8-6-5-7-14(15)16)24(10-9-23(3)4)21(27)20(18)26/h5-8,12-13,19,22,26H,9-11H2,1-4H3
InChIKeyJAGRUVHEHYJRRF-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.04
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (PubChem CID 108646441) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
PubChem CID108646441
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
SMILESCC(C)CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C21H27N3O3/c1-13(2)11-17(25)18-19(15-12-22-16-8-6-5-7-14(15)16)24(10-9-23(3)4)21(27)20(18)26/h5-8,12-13,19,22,26H,9-11H2,1-4H3
InChIKeyJAGRUVHEHYJRRF-UHFFFAOYSA-N
XLogP3.04
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108604568
4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603437
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108646463
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108646525
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108604510
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108646456
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108643823
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603432
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108619946
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108681315
1-(3-ethoxyphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108680880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one (CID 108646441) is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is CC(C)CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
The InChIKey is JAGRUVHEHYJRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)11-17(25)18-19(15-12-22-16-8-6-5-7-14(15)16)24(10-9-23(3)4)21(27)20(18)26/h5-8,12-13,19,22,26H,9-11H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one has a molecular weight of 369.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108646441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).